0 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)N1 M53903 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 M38860 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 M51186 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 C63746 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 Q51171 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Q67745 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 T62223 [0,0,0,0,0,0|3,1,0]=4 8 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 B53616 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 N60644 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 O=C1C=COC2=C1C=CC=C2 C38489 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 C4719 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.1081 O=C1CCOC2=CC=CN=C12 P48464 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 H10800 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [1,0,0,0,0,0|2,0,0]=3 22 B14R2.8045 CC1=CC=CC2=C1NC(=O)OC2=O M61150 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.8045 O=C1NC2=C(Br)C=CC=C2C(=O)O1 B47414 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 B47411 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.8235 O=C1NC2=C(C=C(Cl)C=C2)C(=O)O1 C47415 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.8235 O=C1NC2=C(C=C(F)C=C2)C(=O)O1 F47418 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 B47412 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 C66242 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.29365 CC1=CC(=O)C2=C(C=C(O)C=C2)O1 H53809 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 B47413 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.29365 O=C1NC2=C(C=CC(Cl)=C2)C(=O)O1 C47416 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.29365 O=C1NC2=C(C=CC(F)=C2)C(=O)O1 F47419 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 F66585 [0,0,1,0,0,0|2,0,1]=4 34 B12R1.75 O=CC1=C(OC(F)F)C=CC=C1 D48187 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.283 CCOC1=C(C(=O)O)C=CN=C1 E49306 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.283 CCOC1=CC=CN=C1C(=O)O E49299 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.283 COCC1=C(C(=O)O)C=CC=C1 M49909 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 A64045 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 E51932 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 E51956 [0,0,1,0,0,0|3,0,0]=4 42 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [0,0,0,0,1,0|3,0,0]=4 43 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,0,0,0,1,0|3,0,0]=4 44 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,0,0,0,1,0|3,0,0]=4 45 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [0,0,0,0,1,0|3,0,0]=4 46 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [0,0,0,0,1,0|2,0,1]=4 47 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 P15540 [0,0,0,0,1,0|2,0,1]=4 48 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 P15539 [0,0,0,0,1,0|2,0,1]=4 49 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [0,0,0,0,1,0|2,0,0]=3 50 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [0,0,0,0,1,0|1,0,0]=2 51 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [0,0,0,0,1,0|2,0,0]=3 52 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [0,0,0,0,1,0|1,0,0]=2 53 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 P60753 [0,0,0,0,1,0|2,0,1]=4 54 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 E36717 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 E49881 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.53 COC1=C(C(=O)O)C=CC=N1 M12720 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.53 COC1=C(C(=O)O)C=NC=C1 M45835 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.53 COC1=C(C(N)=O)C=CC=C1 M60565 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.53 COC1=CC=CN=C1C(=O)O M45833 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 M69034 [1,0,1,0,0,0|1,1,0]=4 64 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 H46555 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 C48588 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 H49093 [1,0,1,0,0,0|1,0,0]=3 67 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.222 COC(=O)C1=C(C)C=CC=C1 M39531 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.222 COC(=O)C1=C(F)C=CC=C1 M69073 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.222 COC(=O)C1=C(I)C=CC=C1 M67835 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.222 COC(=O)C1=C(O)C=NC=C1 M15996 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.222 COC(=O)C1=C(O)N=CC=C1 M38592 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.222 COC(=O)C1=C(S)C=CC=C1 M69035 [1,0,1,0,0,0|1,1,0]=4 76 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [1,0,1,0,0,0|2,0,0]=4 77 B13R1.572 CCCOC1=C(C(=O)O)C=CC=C1 P39607 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.446 CCOC(=O)C1=C(O)C=CC(I)=C1 E52001 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1O E51986 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.4453 CCOC(=O)C1=C(O)C=CC=C1C E52826 [0,1,1,0,0,0|2,0,0]=4 81 B13R2.342 CC1=CC=CC2=C1OCCC2=O M63718 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 B61125 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 C51255 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 F51258 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.342 O=C1OC=CC2=C(Br)C=CC=C12 B50766 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C50991 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.4818 CC1=CC=CC2=C1C(=O)CCO2 M63737 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.4818 O=C1CCOC2=CC=CC(Br)=C12 B37547 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O H37816 [0,1,0,0,1,0|2,0,0]=4 90 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 M28000 [0,1,0,0,1,0|1,0,0]=3 91 B13R2.2931 N#C[IH2]1OC(=O)C2=C1C=CC=C2 X7072 [0,1,0,0,1,0|2,0,0]=4 92 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 F47315 [0,1,0,0,1,0|1,0,1]=4 93 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 H29824 [0,1,0,0,1,0|1,0,1]=4 94 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 B0642 [0,1,0,0,1,0|1,0,1]=4 95 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 C37696 [0,1,0,0,1,0|1,0,1]=4 96 B13R2.5187 O=C1OC(=O)C2=C1C=CC(O)=C2 H22780 [0,1,0,0,1,0|1,0,1]=4 97 B13R2.12159 O=C1OI(=O)(O)C2=C1C=CC=C2 K67404 [0,1,0,0,1,0|1,0,0]=3 98 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 S62295 [0,1,0,0,1,0|1,0,1]=4 99 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 B13838 [0,0,1,1,0,0|2,0,0]=4 100 B13R2.5569 O=C(O)C1=C2OC=CC2=CC=C1 B50994 [0,0,1,1,0,0|2,0,0]=4 101 B13R2.5569 O=C(O)C1=C2OCCC2=CC=C1 D51630 [0,0,1,1,0,0|2,0,0]=4 102 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 B48235 [0,0,1,1,0,0|1,0,0]=3 103 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [1,0,0,0,1,0|1,0,1]=4 104 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [1,0,0,0,1,0|2,0,0]=4 105 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [1,0,0,0,1,0|1,0,1]=4 106 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 F67142 [0,0,1,0,0,1|1,0,1]=4